Chemical Synthesis and Analysis
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Latest in Chemical Synthesis and Analysis
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AI-driven virtual screening expands DEL hits, identifying 14 compounds with IC50 values ≤ 100 μM, enhancing chemical diversity and drug-likeness.
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CyclicCAE outperforms GenKIC by rapidly generating energetically stable heterochiral macrocycle backbones, advancing macrocycle drug design.
- Open access
- 2 cites
Generative AI-designed thiolation domains enable up to threefold increased yields in reprogrammed non-ribosomal peptide synthetases.
- Open access
Combinatorial deep mutational scanning reveals epistatic superbinders that bind 3- to 5-fold tighter than existing PIN1 WW-domain binders.
- Open access
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